2-Chloro-5-fluoro-1H-indole-3-carbaldehyde

• Catalog: OFC535925496
• CAS: 535925-49-6
• Category: Fluorinated Indoles
• MDL Number: MFCD05178217

• IUPAC Name: 2-chloro-5-fluoro-1H-indole-3-carbaldehyde
• InChI: InChI=1S/C9H5ClFNO/c10-9-7(4-13)6-3-5(11)1-2-8(6)12-9/h1-4,12H
• InChI Key: NNEDERDZTHSBAG-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=C1F)C(=C(N2)Cl)C=O

• Molecular Formula: C9H5ClFNO
• Molecular Weight: 197.59

• XLogP3-AA: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 197.0043696 g/mol
• Monoisotopic Mass: 197.0043696 g/mol
• Topological Polar Surface Area: 32.9Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 214